SCHEMBL5023766

SCHEMBL5023766

OCc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
PTGS2 P35354 1/20 0.36
HDAC1 Q13547 2/20 0.35
TOP1 P11387 1/20 0.35
RAD51 Q06609 1/20 0.35
GRM5 P41594 1/20 0.35
KIF11 P52732 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5016834 0.86 CTSS (0.39) PTGS2HDAC1TOP1RAD51HDAC3
SCHEMBL4682811 0.83 TLR8 (0.41) PTGS2HDAC1RAD51HDAC3HDAC4
SCHEMBL2425237 0.82 GCGR (0.43) HDAC1ADORA3SCN9A
SCHEMBL4682071 0.81 HDAC1 (0.50) KCNJ6KCNJ5KCNJ3HDAC1HDAC3
SCHEMBL4685144 0.79 TLR8 (0.42) PTGS2RAD51ADORA3TRPV3
SCHEMBL4100533 0.79 TLR8 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4683641 0.76 NPBWR1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4089672 0.76 TRPV3 (0.43) PTGS2RAD51TRPV3
SCHEMBL4415884 0.72 RAD51 (0.41) PTGS2HDAC1RAD51KIF11HDAC3
SCHEMBL5025713 0.72 POLB (0.55) KCNJ6KCNJ5KCNJ3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG KCNJ6 1178/4885KCNJ5 704/4885KCNJ3 1028/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.